large molecule ~ small molecule interactions projects by the woonsocket team: toni dimarzio andrea...
Post on 19-Dec-2015
214 views
TRANSCRIPT
Large Molecule ~Small Molecule
InteractionsProjects
By the Woonsocket Team:
Toni DiMarzio Andrea Harnois Alyshia Johnson Claire Laquerre
Triphenyl PropylPhosphonium Bromide
• Physical Properties Appearance: white to
off-white crystal Weight 464.19amu
(385.28g/mol) Melting point: 235-239°C
• Hazards Irritant to eyes, respiratory
system, and skin.
Native Genomic DNA Melting
According to the graphs, the native genomic DNA had a melting point of
55°C.
40 45 50 55 60 65 70 75 80 85 90
-0.002
0
0.002
0.004
0.006
0.008
0.01
0.012
0.014
0.016
0.018
Native Genomic DNA Melt-ing Point- Derivative Plot
Tave
Del
ta A
/ D
elta
T
40 50 60 70 80 90 1001.0
1.1
1.2
1.3
1.4
1.5
Native Genomic DNA Melt-ing Point
Temperature (˚C)
Ab
sorb
ance
Treated Genomic DNA Melting
According to the graphs, through our experimental
difficulties, the melting point of the treated genomic DNA was
70°C.
40 45 50 55 60 65 70 75 80 85 90-0.004
-0.002
0
0.002
0.004
0.006
0.008
0.01
0.012
Genomic DNA Triphenyl Propyl Phosphonium
Bromide Melting Point - Derivative Plot
Tave
Del
ta A
/ D
elta
T
40 50 60 70 80 90 1001
1.1
1.2
1.3
1.4
1.5
Genomic DNA + Triphenyl Propyl Phosphonium Bromide Melting Point
Temperature (˚C)
Ab
sorb
ance
Electrophoresis
1.5 1.6 1.7 1.8 1.9 2 2.1 2.2 2.3 2.4 2.5 2.6 2.7 2.8 2.9 3 3.1 3.2 3.3 3.4 3.5 3.6 3.7 3.8 3.9 41,000
10,000
100,000Lambda Hind III Ladder
Distance (cm)
Bas
e P
airsFirst gel with compound
concentration of 5µlSecond gel with compound
concentrations of 2µl and 8µl
HyperChem Predictions
Major GrooveEnergy = -917.494 kcal/mol
HyperChem Predictions
Minor GrooveEnergy = -917.228 kcal/mol
HyperChem Predictions
IntercalatedEnergy Before Optimization = 19850224519.55 kcal/mol
Energy After Optimization = - 906.903 kcal/mol
HyperChem Predictions
Energy = 1517.968 kcal/mol
HyperChem Predictions
Energy = 1529.708 kcal/mol
HyperChem Predictions
Energy After Optimization = -311.449
In Conclusion…
According to our electrophoresis gel experiment, our compound of interest did not bind to the DNA.
According to our DNA melting, our compound of interest shifted the melting point of the genomic DNA.
According to our HyperChem predictions, our compound of interest has a very stable interaction with DNA.